N-(2,2-diethoxyethyl)-2-nitro-3-oxidanyl-N-prop-2-ynyl-benzamide

Systemtic Name: N-(2,2-diethoxyethyl)-2-nitro-3-oxidanyl-N-prop-2-ynyl-benzamide Openeye Name: N-(2,2-diethoxyethyl)-3-hydroxy-2-nitro-N-prop-2-ynyl-benzamide CAS Name: N-(2,2-diethoxyethyl)-3-hydroxy-2-nitro-N-prop-2-ynylbenzamide IUPAC Name: N-(2,2-diethoxyethyl)-3-hydroxy-2-nitro-N-prop-2-ynylbenzamide Traditional Name: N-(2,2-diethoxyethyl)-3-hydroxy-2-nitro-N-propargyl-benzamide Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CC#C)C(=O)C1=C(C(=CC=C1)O)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(CN(CC#C)C(=O)C1=C(C(=CC=C1)O)[N+](=O)[O-])OCC

InChI

InChI=1S/C16H20N2O6/c1-4-10-17(11-14(23-5-2)24-6-3)16(20)12-8-7-9-13(19)15(12)18(21)22/h1,7-9,14,19H,5-6,10-11H2,2-3H3